U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O3
Molecular Weight 220.2643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-Oxobutyl)phenyl propionate

SMILES

CCC(=O)OC1=CC=C(CCC(C)=O)C=C1

InChI

InChIKey=NBNZUDHERZHGTE-UHFFFAOYSA-N
InChI=1S/C13H16O3/c1-3-13(15)16-12-8-6-11(7-9-12)5-4-10(2)14/h6-9H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H16O3
Molecular Weight 220.2643
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:12:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:20 GMT 2023
Record UNII
WW2WN82BTR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-Oxobutyl)phenyl propionate
Systematic Name English
NSC-39439
Code English
2-Butanone, 4-(p-hydroxyphenyl)-, propionate
Systematic Name English
2-Butanone, 4-[4-(1-oxopropoxy)phenyl]-
Systematic Name English
4-[4-(1-Oxopropoxy)phenyl]-2-butanone
Systematic Name English
Code System Code Type Description
FDA UNII
WW2WN82BTR
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID90233582
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY
NSC
39439
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY
PUBCHEM
95847
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
283-321-0
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY
CAS
84604-41-1
Created by admin on Sat Dec 16 12:12:21 GMT 2023 , Edited by admin on Sat Dec 16 12:12:21 GMT 2023
PRIMARY